N-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(cyclopropylmethyl)-4-(p-tolylsulfonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide IUPAC Name: N-(cyclopropylmethyl)-4-(4-methylphenyl)sulfonyl-1,4-diazepane-1-carboxamide Traditional Name: N-(cyclopropylmethyl)-4-tosyl-1,4-diazepane-1-carboxamide Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)NCC3CC3

InChI

InChI=1S/C17H25N3O3S/c1-14-3-7-16(8-4-14)24(22,23)20-10-2-9-19(11-12-20)17(21)18-13-15-5-6-15/h3-4,7-8,15H,2,5-6,9-13H2,1H3,(H,18,21)